Evidence map›Paper›PMID 26933452›Full record

ArticleJournal of cheminformatics2016

libChEBI: an API for accessing the ChEBI database.

Neil Swainston, Janna Hastings, Adriano Dekker, Venkatesh Muthukrishnan, John May, Christoph Steinbeck, Pedro Mendes

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
  6. Improving lipid mapping in Genome Scale Metabolic Networks using ontologies.Metabolomics : Official journal of the Metabolomic Society · 2020
    Article
  7. Article
  8. Article
  9. DNAmod: the DNA modification database.Journal of cheminformatics · 2019
    Article
  10. Article
  11. Article
  12. Article
  13. Recon 2.2: from reconstruction to model of human metabolism.Metabolomics : Official journal of the Metabolomic Society
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Neil SwainstonManchester Centre for Synthetic Biology of Fine and Specialty Chemicals (SYNBIOCHEM), Manchester Institute of Biotechnology, University of Manchester, Manchester, M1 7DN UK ; European Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK.ORCID 0000-0001-7020-1236
Janna HastingsEuropean Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK.
Adriano DekkerEuropean Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK.
Venkatesh MuthukrishnanEuropean Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK.
John MayEuropean Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK ; NextMove Software Ltd., Innovation Centre, Science Park, Milton Road, Cambridge, CB4 0EY UK.
Christoph SteinbeckEuropean Bioinformatics Institute, Hinxton, Cambridge, CB10 1SD UK.
Pedro MendesManchester Centre for Synthetic Biology of Fine and Specialty Chemicals (SYNBIOCHEM), Manchester Institute of Biotechnology, University of Manchester, Manchester, M1 7DN UK ; School of Computer Science, University of Manchester, Manchester, M13 9PL UK ; Center for Quantitative Medicine, UConn Health, Farmington, CT 06030 USA.

Funding

Biotechnology and Biological Sciences Research Council BB/K019783/1Biotechnology and Biological Sciences Research Council BB/M017702/1
6 · The paper itself

Abstract

backgroundChEBI is a database and ontology of chemical entities of biological interest. It is widely used as a source of identifiers to facilitate unambiguous reference to chemical entities within biological models, databases, ontologies and literature. ChEBI contains a wealth of chemical data, covering over 46,500 distinct chemical entities, and related data such as chemical formula, charge, molecular mass, structure, synonyms and links to external databases. Furthermore, ChEBI is an ontology, and thus provides meaningful links between chemical entities. Unlike many other resources, ChEBI is fully human-curated, providing a reliable, non-redundant collection of chemical entities and related data. While ChEBI is supported by a web service for programmatic access and a number of download files, it does not have an API library to facilitate the use of ChEBI and its data in cheminformatics software.

resultsTo provide this missing functionality, libChEBI, a comprehensive API library for accessing ChEBI data, is introduced. libChEBI is available in Java, Python and MATLAB versions from http://github.com/libChEBI, and provides full programmatic access to all data held within the ChEBI database through a simple and documented API. libChEBI is reliant upon the (automated) download and regular update of flat files that are held locally. As such, libChEBI can be embedded in both on- and off-line software applications.

conclusionslibChEBI allows better support of ChEBI and its data in the development of new cheminformatics software. Covering three key programming languages, it allows for the entirety of the ChEBI database to be accessed easily and quickly through a simple API. All code is open access and freely available.

Indexed as

APIChEBICheminformaticsDatabaseJavaLibraryMATLABPython

Identifiers

PMID26933452
PMCPMC4772646

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.